1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylpiperidine

C22H34FNO2 — CID 13263938

IUPAC1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(CC2COC(C)(C(C)(C)Cc3ccc(F)cc3)O2)C1
InChIInChI=1S/C22H34FNO2/c1-16-10-17(2)13-24(12-16)14-20-15-25-22(5,26-20)21(3,4)11-18-6-8-19(23)9-7-18/h6-9,16-17,20H,10-15H2,1-5H3
InChIKeyWTIWNZGSEWSRSH-UHFFFAOYSA-N
MW363.52 g/mol
LogP4.50
Rot. Bonds5

About 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylpiperidine

1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylpiperidine (PubChem CID 13263938) has the molecular formula C22H34FNO2 and a molecular weight of 363.52 g/mol. Its IUPAC name is 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylpiperidine
PubChem CID13263938
Molecular FormulaC22H34FNO2
Molecular Weight363.52 g/mol
Exact Mass363.26
IUPAC Name1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(CC2COC(C)(C(C)(C)Cc3ccc(F)cc3)O2)C1
InChIInChI=1S/C22H34FNO2/c1-16-10-17(2)13-24(12-16)14-20-15-25-22(5,26-20)21(3,4)11-18-6-8-19(23)9-7-18/h6-9,16-17,20H,10-15H2,1-5H3
InChIKeyWTIWNZGSEWSRSH-UHFFFAOYSA-N
XLogP4.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylpiperidine with MolForge

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Related Compounds

Oxapium Iodide
CID 168884
4-[[2-[2-(4-Tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]morpholine
CID 3542201
Oxapium
CID 4613
4-{2-[2-(4-tert-Butyl-phenyl)-ethyl]-[1,3]dioxolan-4-ylmethyl}-4-methyl-morpholin-4-ium
CID 16682490
1-Methyl-1-{[2-(1-phenylethyl)-1,3-dioxolan-4-yl]methyl}piperidinium
CID 16188406
4-Benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine
CID 127027494
4-Benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine
CID 127028726
6-Benzyl-7-methyl-1,4-dioxa-7-azaspiro(4,5)decane
CID 128109
1-({2-[2-(4-Tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl}methyl)piperidine
CID 3628072
1-Benzyl-1-{[2-(2,4,4-trimethylpentyl)-1,3-dioxolan-4-yl]methyl}piperidinium
CID 5101318
2-[[3-(4-Tert-butylphenyl)-2-methyl-propyl]-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]amino]ethanol
CID 487661
{3-[4-(Tert-butyl)phenyl]-2-methylpropyl}ethyl{[2-(methoxymethyl)-2-methyl(1,3-dioxolan-4-yl)]methyl}amine
CID 487664

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylpiperidine?
The IUPAC name of 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylpiperidine (CID 13263938) is 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylpiperidine?
The canonical SMILES for 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylpiperidine is CC1CC(C)CN(CC2COC(C)(C(C)(C)Cc3ccc(F)cc3)O2)C1.
What is the InChIKey of 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylpiperidine?
The InChIKey is WTIWNZGSEWSRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FNO2/c1-16-10-17(2)13-24(12-16)14-20-15-25-22(5,26-20)21(3,4)11-18-6-8-19(23)9-7-18/h6-9,16-17,20H,10-15H2,1-5H3.
What are the key properties of 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylpiperidine?
1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylpiperidine has a molecular weight of 363.52 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylpiperidine is sourced from PubChem (CID 13263938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).